SCHEMBL2898408

SCHEMBL2898408

Cc1cccc(-c2cc(C3CCCN3)no2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
CHRM2 P08172 3/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
HTR7 P34969 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
NISCH Q9Y2I1 2/20 0.38
GRM5 P41594 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2898404 1.00 CASP3 (0.41) CASP3SENP7SENP6CHRM2CHRM4
SCHEMBL4082606 0.85 RAB9A (0.47) CASP3SENP7SENP6NR1H4
SCHEMBL16464581 0.85 RAB9A (0.47) CASP3SENP7SENP6NR1H4
SCHEMBL3975733 0.85 RAB9A (0.47) CASP3SENP7SENP6NR1H4
SCHEMBL8226952 0.85 NR1H4 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2899343 0.85 RPS6KB1 (0.42) HTR7NR1H4NISCHGRM5
SCHEMBL2899344 0.85 RPS6KB1 (0.42) HTR7NR1H4NISCHGRM5
SCHEMBL5483346 0.85 RAB9A (0.48) HTR7NR1H4
SCHEMBL14387422 0.85 NR1H4 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL17063997 0.84 RAB9A (0.46) NR1H4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027120-A2 MGLUR5 MODULATORS I AstraZeneca AB (SE) 2009-02-25 EP claimed
WO-2007130820-A2 MGLUR5 MODULATORS I ASTRAZENECA AB (SE) 2007-11-15 WO claimed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070259862-A1 MGluR5 modulators I GRM5, GRM1, GRIK5 CASP3 4334/4885SENP7 3465/4885SENP6 3958/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.